5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one

C25H21N5O — CID 122656210

IUPAC5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccccc4)nc4c(N5CC6(CC6)C5)nccn34)ccc2N1
InChIInChI=1S/C25H21N5O/c31-20-13-18-12-17(6-7-19(18)27-20)22-21(16-4-2-1-3-5-16)28-24-23(26-10-11-30(22)24)29-14-25(15-29)8-9-25/h1-7,10-12H,8-9,13-15H2,(H,27,31)
InChIKeyLBCBCTVCDZOTDQ-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.16
Rot. Bonds3

About 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one

5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122656210) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122656210
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccccc4)nc4c(N5CC6(CC6)C5)nccn34)ccc2N1
InChIInChI=1S/C25H21N5O/c31-20-13-18-12-17(6-7-19(18)27-20)22-21(16-4-2-1-3-5-16)28-24-23(26-10-11-30(22)24)29-14-25(15-29)8-9-25/h1-7,10-12H,8-9,13-15H2,(H,27,31)
InChIKeyLBCBCTVCDZOTDQ-UHFFFAOYSA-N
XLogP4.16
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122656210) is 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(-c4ccccc4)nc4c(N5CC6(CC6)C5)nccn34)ccc2N1.
What is the InChIKey of 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is LBCBCTVCDZOTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c31-20-13-18-12-17(6-7-19(18)27-20)22-21(16-4-2-1-3-5-16)28-24-23(26-10-11-30(22)24)29-14-25(15-29)8-9-25/h1-7,10-12H,8-9,13-15H2,(H,27,31).
What are the key properties of 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 407.48 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(5-azaspiro[2.3]hexan-5-yl)-2-phenylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).